scchem2021
Post-doc in Schulich Faculty of Chemistry. Ph. D. (Chemistry) from TIFR-Hyderabad, India.
Technion, Israel Institute of TechnologyIsrael
scchem2021's Stars
michaelgutmann/ml-pen-and-paper-exercises
Pen and paper exercises in machine learning
QBobWatson/gt-linalg
Interactive Linear Algebra, free online textbook at Georgia Tech
QBobWatson/ila
Interactive Linear Algebra
MolecularAI/aizynthfinder
A tool for retrosynthetic planning
Mishima-syk/psikit
psi4+RDKit
jfeist/QuantumAlgebra.jl
Quantum operator algebra in Julia
edeprince3/pdaggerq
fevangelista/wicked
A Wick theorem kernel written in C++ and interfaced with Python
tevang/tutorials
Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.
jrjohansson/reproduced-papers
A collection of IPython notebooks with reproduced numerical results of some interesting papers.
tschijnmo/drudge
CAS based on sympy focusing on tensor and noncommutative algebras
ValeevGroup/SeQuant
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
nickjbrowning/qml-lightning
Toolkit containing implementations of GPU-accelerated approximate kernel models and efficient atomic representations. Yields accurate models in lightning-fast time.
gauravharsha/drudge-exts
Application specific extension modules for drudge